3,5-dichloro-1-propylpyridin-4-one

C8H9Cl2NO — CID 90805191

IUPAC3,5-dichloro-1-propylpyridin-4-one
SMILESCCCn1cc(Cl)c(=O)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO/c1-2-3-11-4-6(9)8(12)7(10)5-11/h4-5H,2-3H2,1H3
InChIKeyXRXSGBBZQMICOA-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.57
Rot. Bonds2

About 3,5-dichloro-1-propylpyridin-4-one

3,5-dichloro-1-propylpyridin-4-one (PubChem CID 90805191) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 3,5-dichloro-1-propylpyridin-4-one.

Molecular Properties

Compound Name3,5-dichloro-1-propylpyridin-4-one
PubChem CID90805191
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name3,5-dichloro-1-propylpyridin-4-one
SMILESCCCn1cc(Cl)c(=O)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO/c1-2-3-11-4-6(9)8(12)7(10)5-11/h4-5H,2-3H2,1H3
InChIKeyXRXSGBBZQMICOA-UHFFFAOYSA-N
XLogP2.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-propylpyridin-4-one?
The IUPAC name of 3,5-dichloro-1-propylpyridin-4-one (CID 90805191) is 3,5-dichloro-1-propylpyridin-4-one.
What is the SMILES notation for 3,5-dichloro-1-propylpyridin-4-one?
The canonical SMILES for 3,5-dichloro-1-propylpyridin-4-one is CCCn1cc(Cl)c(=O)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-1-propylpyridin-4-one?
The InChIKey is XRXSGBBZQMICOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c1-2-3-11-4-6(9)8(12)7(10)5-11/h4-5H,2-3H2,1H3.
What are the key properties of 3,5-dichloro-1-propylpyridin-4-one?
3,5-dichloro-1-propylpyridin-4-one has a molecular weight of 206.07 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-propylpyridin-4-one is sourced from PubChem (CID 90805191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).